ChemSpider 2D Image | 3B,9a,11-trihydroxy-6-oxodrim-7-ene | C15H24O4

3B,9a,11-trihydroxy-6-oxodrim-7-ene

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID24706664

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R,4aS,7S,8aS)-4,7-Dihydroxy-4-(hydroxyméthyl)-3,4a,8,8-tétraméthyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphtalénone [French] [ACD/IUPAC Name]
(4R,4aS,7S,8aS)-4,7-Dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone [ACD/IUPAC Name]
(4R,4aS,7S,8aS)-4,7-Dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalinon [German] [ACD/IUPAC Name]
1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-, (4R,4aS,7S,8aS)- [ACD/Index Name]
3B,9a,11-trihydroxy-6-oxodrim-7-ene
(4R,4aS,7S,8aS)-4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
1175543-02-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1077415/
USTUSOL A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 436.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 232.1±25.2 °C
Index of Refraction: 1.536
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.37
ACD/KOC (pH 5.5): 100.03
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.37
ACD/KOC (pH 7.4): 100.03
Polar Surface Area: 78 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

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